CHEMBL598819


SMILES CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCSCC)c1=O
InChIKey MVVWCXJLPQXNJG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 358.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 6.72 6.72 6.72 ChEMBL
A3 AA3R Human Adenosine A pKi 6.93 6.93 6.93 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.84 5.84 5.84 ChEMBL
A1 AA1R Human Adenosine A pKi 7.03 7.03 7.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database